4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile

C7H2BrF2IN2 — CID 118850612

IUPAC4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
SMILESN#Cc1c(I)ncc(C(F)F)c1Br
InChIInChI=1S/C7H2BrF2IN2/c8-5-3(1-12)7(11)13-2-4(5)6(9)10/h2,6H
InChIKeyVLKQLJLSIQNXSS-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.26
Rot. Bonds1

About 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile

4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile (PubChem CID 118850612) has the molecular formula C7H2BrF2IN2 and a molecular weight of 358.91 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
PubChem CID118850612
Molecular FormulaC7H2BrF2IN2
Molecular Weight358.91 g/mol
Exact Mass357.84
IUPAC Name4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
SMILESN#Cc1c(I)ncc(C(F)F)c1Br
InChIInChI=1S/C7H2BrF2IN2/c8-5-3(1-12)7(11)13-2-4(5)6(9)10/h2,6H
InChIKeyVLKQLJLSIQNXSS-UHFFFAOYSA-N
XLogP3.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
4-bromo-5-(difluoromethyl)-2,3-diiodopyridine
CID 118806090
5-(difluoromethyl)-4-(hydroxymethyl)-2-iodopyridine-3-carbonitrile
CID 130077525
2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
3-bromo-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130108704
4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
2-[4-bromo-3-cyano-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118805503
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118804853

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The IUPAC name of 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile (CID 118850612) is 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile is N#Cc1c(I)ncc(C(F)F)c1Br.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The InChIKey is VLKQLJLSIQNXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF2IN2/c8-5-3(1-12)7(11)13-2-4(5)6(9)10/h2,6H.
What are the key properties of 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile has a molecular weight of 358.91 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile is sourced from PubChem (CID 118850612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).